SCHEMBL4891054

SCHEMBL4891054

NC(CCc1nc(-c2ccc(S(N)(=O)=O)cc2)no1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.49
CA2 P00918 13/20 0.49
CA12 O43570 9/20 0.49
CA1 P00915 9/20 0.49
S1PR1 P21453 3/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4891043 0.81 CA9 (0.49) CA9CA2CA12CA1S1PR1
SCHEMBL4891052 0.78 CA9 (0.51) CA9CA2CA12CA1S1PR1
SCHEMBL4884701 0.72 SMN1; SMN2 (0.41) CA9CA2CA12CA1HDAC4
SCHEMBL4888552 0.71 CA2 (0.39) CA9CA2CA12CA1S1PR1
SCHEMBL8469388 0.69 SCN5A (0.46) CA9CA2CA12CA1HDAC4
SCHEMBL27032985 0.66 ALDH1A1 (0.60)
SCHEMBL27146530 0.66 ALDH1A1 (0.60)
SCHEMBL4887744 0.65 NOTUM (0.51) S1PR1MAPT
Hydrochloric Acid SCHEMBL29096793 0.65 ALDH1A1 (0.59)
SCHEMBL6207862 0.64 NOTUM (0.60) S1PR1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CA9 429/4885CA2 513/4885CA12 1212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.